7FK7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B04 from the F2X-Universal Library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.462, 81.708, 92.978
Unit cell angles	90.00, 108.30, 90.00

Refinement procedure

Resolution	41.990 - 1.720
R-factor	0.2021
Rwork	0.201
R-free	0.24630
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.990	41.990	41.990
High resolution limit [Å]	1.720	5.120	1.720
Rmerge		0.087	2.360
Rmeas	0.196	0.095	2.562
Total number of observations	437591	17308	66434
Number of reflections	66240	2597	10217
<I/σ(I)>	8.61	28.48	0.66
Completeness [%]	98.6	99.3	94.6
Redundancy	6.61	6.66	6.5
CC(1/2)	0.995	0.994	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate